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Title: Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe 2As 2

Abstract

Within the BaFe 2As 2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba 1-xTl xFe 2As 2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe 2As 2 (T N = T s = 133 K) increase for x = 0.05 (T N = 138 K, T s = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (T N = T s = 131 K), and this is due to charge doping. Lastly, we illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism.

Authors:
 [1];  [1];  [2];  [1];  [1];  [3];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1259855
Alternate Identifier(s):
OSTI ID: 1267059
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 6; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; magnetic properties and materials; superconducting properties and materials

Citation Formats

Sefat, Athena S., Li, Li, Cao, Huibo B., McGuire, Michael A., Sales, Brian, Custelcean, Radu, and Parker, David S. Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2. United States: N. p., 2016. Web. doi:10.1038/srep21660.
Sefat, Athena S., Li, Li, Cao, Huibo B., McGuire, Michael A., Sales, Brian, Custelcean, Radu, & Parker, David S. Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2. United States. doi:10.1038/srep21660.
Sefat, Athena S., Li, Li, Cao, Huibo B., McGuire, Michael A., Sales, Brian, Custelcean, Radu, and Parker, David S. Fri . "Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2". United States. doi:10.1038/srep21660. https://www.osti.gov/servlets/purl/1259855.
@article{osti_1259855,
title = {Anomalous magneto-elastic and charge doping effects in thallium-doped BaFe2As2},
author = {Sefat, Athena S. and Li, Li and Cao, Huibo B. and McGuire, Michael A. and Sales, Brian and Custelcean, Radu and Parker, David S.},
abstractNote = {Within the BaFe2As2 crystal lattice, we partially substitute thallium for barium and report the effects of interlayer coupling in Ba1-xTlxFe2As2 crystals. We demonstrate the unusual effects of magneto-elastic coupling and charge doping in this iron-arsenide material, whereby Néel temperature rises with small x, and then falls with additional x. Specifically, we find that Néel and structural transitions in BaFe2As2 (TN = Ts = 133 K) increase for x = 0.05 (TN = 138 K, Ts = 140 K) from magnetization, heat capacity, resistivity, and neutron diffraction measurements. Evidence from single crystal X-ray diffraction and first principles calculations attributes the stronger magnetism in x = 0.05 to magneto-elastic coupling related to the shorter intraplanar Fe-Fe bond distance. With further thallium substitution, the transition temperatures decrease for x = 0.09 (TN = Ts = 131 K), and this is due to charge doping. Lastly, we illustrate that small changes related to 3d transition-metal state can have profound effects on magnetism.},
doi = {10.1038/srep21660},
journal = {Scientific Reports},
number = ,
volume = 6,
place = {United States},
year = {2016},
month = {2}
}

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